Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23863122 | 0.85 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL23863118 | 0.85 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL14246937 | 0.81 | SMN1; SMN2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL14316534 | 0.81 | SMN1; SMN2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25848710 | 0.78 | MAPK1 (0.37) | SMN1; SMN2 | |
| SCHEMBL31517402 | 0.77 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL16820690 | 0.77 | MMP2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL31405422 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6899604 | 0.75 | APLNR (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17960576 | 0.74 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2018175628-A1 | BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-27 | — | — | WO | disclosed |